4-Iodoaniline

CAT: 0024-sc-252163Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-252163Size:25 g

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CAS Number

540-37-4

Chemical Information

4-Iodoaniline

reagent

CAS Number	540-37-4
PubChem CID	10893
IUPAC Name	4-iodoaniline
Molecular Formula	C6H6IN
Molecular Weight	219.02
XLogP	2.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	66

SMILES

C1=CC(=CC=C1N)I

InChI

InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey

VLVCDUSVTXIWGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 540-37-4

CID: 10893

Formula: C6H6IN

MW: 219.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.02
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	218.95450
Monoisotopic Mass	218.95450
Topological Polar Surface Area	26 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes